› 4ckr

X-ray diffraction
2.2Å resolution

Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1

Released:
DOI: 10.2210/pdb4ckr/pdb
PDB entry 4ckr coloured by chain, front view.
PDB entry 4ckr coloured by chain, side view.
PDB entry 4ckr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor.
Kim HG, Tan L, Weisberg EL, Liu F, Canning P, Choi HG, Ezell SA, Wu H, Zhao Z, Wang J, Mandinova A, Griffin JD, Bullock AN, Liu Q, Lee SW, Gray NS
ACS Chem Biol 8 2145-50 (2013)
PMID: 23899692

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170636 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epithelial discoidin domain-containing receptor 1 Chain: A
Molecule details ›
Chain: A
Length: 315 amino acids
Theoretical weight: 35.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q08345 (Residues: 601-913; Coverage: 35%)
Gene names: CAK, DDR1, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand DI1 1 x DI1
Ligand EDO 5 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P41212
Unit cell:
a: 59.308Å b: 59.308Å c: 178.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.198 0.247
Expression system: Spodoptera frugiperda

Quick links

Citations

17 review citations

Discoidin domain receptor functions in physiological and pathological conditions.
Leitinger B. (2014)
16 more

6 mentions without citation

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery.
Kothiwale et al. (2015)
5 more